Information card for entry 7224812

Structure parameters

• Formula: C34 H26 N4 Ni O4
• Calculated formula: C34 H26 N4 Ni O4
• SMILES: [Ni]1234(Oc5c(C=[N]3c3c6[n]2cccc6ccc3)cccc5OC)Oc2c(C=[N]4c3cccc4ccc[n]1c34)cccc2OC
• Title of publication: Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues
• Authors of publication: Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.5834 ± 0.0007 Å
• b: 10.2983 ± 0.0006 Å
• c: 21.547 ± 0.0012 Å
• α: 90°
• β: 98.706 ± 0.003°
• γ: 90°
• Cell volume: 2760.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No